RO116-4875/608 - Moligand™ , Antagonist of CCR3, CAS No.R613233, Antagonist of CCR3

CAS: R613233 Cat. No.: R613233 PubChem CID: 10098735

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of CCR3

名前と識別子

カノニカル・スマイル

COc1cc(NC(=O)N[C@H](C(C)C)CN2CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC

IUPAC Name

1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea

InChIKey

FQHUEFRHSWYBQS-QHCPKHFHSA-N

INCHI

1S/C27H37Cl2N3O4/c1-17(2)23(31-27(33)30-20-14-24(34-3)26(36-5)25(15-20)35-4)16-32-10-8-18(9-11-32)12-19-6-7-21(28)22(29)13-19/h6-7,13-15,17-18,23H,8-12,16H2,1-5H3,(H2,30,31,33)/t23-/m0/s1

異性体SMILES

CC(C)[C@H](CN1CCC(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

PubChem CID

10098735

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: N-phenylureas Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - N-phenylurea - Methoxyaniline - Anisole - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Urea - Azacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

CCR3 Tchem C-C chemokine receptor type 3 (1 Activities)

Discover Target: CCR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)